[2-(2-cyanoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
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[2-(2-cyanoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
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CAS No:
380174-76-5
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Formula:
C16H13N3O3S
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Chemical Name:
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
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Synonyms:
Oprea1_142243;ZINC3235581;AKOS033645455;MCULE-5506266165;Z18837754;[(2-cyanophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate;380174-76-5
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CAS No:
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Basic Attributes
327.4 g/mol
327.06776246 g/mol
Computed Properties
Molecular Weight:327.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:327.06776246
Monoisotopic Mass:327.06776246
Topological Polar Surface Area:117
Heavy Atom Count:23
Complexity:476
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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